Geometry & MOs

Info

ID:

7262

PubChem CID:

71796

Reduced:

ISN3O4C22H32 (1)

Stoich.:

ABC3D4E22F32 (1)

Weight, g/mol:

561.11582

ΔHf, kcal/mol:

-148.14

Dipole, Da:

3.96

IP(EA), eV:

 -8.83(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C.I

DOS

IR

Vibrations